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12 lines
716 B
Plaintext
12 lines
716 B
Plaintext
# Molecule : Beryllium
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# Comment :
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# code :
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# method : NEVPT2,aug-cc-pVTZ
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# geom :
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# article : 10.1021/acs.jctc.8b01205
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 S 1 1 D (2s,2s \rightarrow 2p,2p) 7.11 _ _ false
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